SCHEMBL16998614

SCHEMBL16998614

CCc1cncc(CSc2nc(C)cc(C)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
LMNA P02545 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ATM Q13315 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PKM P14618 1/20 0.41
RCE1 Q9Y256 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL844925 0.90 HTT (0.43) HTTLMNAALDH1A1MAPTMAPK1
Hydrochloric Acid SCHEMBL844116 0.88 HTT (0.42) HTTLMNAALDH1A1MAPTMAPK1
SCHEMBL16743438 0.81 HTT (0.57) HTTLMNAALDH1A1MAPTMAPK1
SCHEMBL16743427 0.77 LMNA (0.48) HTTLMNAALDH1A1MAPTMAPK1
SCHEMBL240843 0.73 SMYD3 (0.39) HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL842547 0.73 HTT (0.52) HTTLMNAALDH1A1MAPTMAPK1
Hydrochloric Acid SCHEMBL844765 0.72 HTT (0.51) HTTLMNAALDH1A1MAPTMAPK1
SCHEMBL16998580 0.71 MEN1 (0.57) HTTLMNAALDH1A1MAPTMAPK1
SCHEMBL16998578 0.71 MEN1 (0.57) HTTLMNAALDH1A1MAPTMAPK1
SCHEMBL844462 0.71 HTT (0.46) HTTLMNAALDH1A1MAPTMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP HTT 4119/4885LMNA 2913/4885ALDH1A1 577/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.